2,2,2-trifluoro-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine

C16H11F6NO — CID 53483171

IUPAC2,2,2-trifluoro-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine
SMILESCOc1ccc(/N=C(/c2ccc(C(F)(F)F)cc2)C(F)(F)F)cc1
InChIInChI=1S/C16H11F6NO/c1-24-13-8-6-12(7-9-13)23-14(16(20,21)22)10-2-4-11(5-3-10)15(17,18)19/h2-9H,1H3/b23-14-
InChIKeyGKDTUPNFEIWWPT-UCQKPKSFSA-N
MW347.26 g/mol
LogP5.40
Rot. Bonds3

About 2,2,2-trifluoro-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine

2,2,2-trifluoro-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine (PubChem CID 53483171) has the molecular formula C16H11F6NO and a molecular weight of 347.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine
PubChem CID53483171
Molecular FormulaC16H11F6NO
Molecular Weight347.26 g/mol
Exact Mass347.07
IUPAC Name2,2,2-trifluoro-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine
SMILESCOc1ccc(/N=C(/c2ccc(C(F)(F)F)cc2)C(F)(F)F)cc1
InChIInChI=1S/C16H11F6NO/c1-24-13-8-6-12(7-9-13)23-14(16(20,21)22)10-2-4-11(5-3-10)15(17,18)19/h2-9H,1H3/b23-14-
InChIKeyGKDTUPNFEIWWPT-UCQKPKSFSA-N
XLogP5.40
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.26
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine?
The IUPAC name of 2,2,2-trifluoro-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine (CID 53483171) is 2,2,2-trifluoro-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine?
The canonical SMILES for 2,2,2-trifluoro-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine is COc1ccc(/N=C(/c2ccc(C(F)(F)F)cc2)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine?
The InChIKey is GKDTUPNFEIWWPT-UCQKPKSFSA-N. The full InChI is InChI=1S/C16H11F6NO/c1-24-13-8-6-12(7-9-13)23-14(16(20,21)22)10-2-4-11(5-3-10)15(17,18)19/h2-9H,1H3/b23-14-.
What are the key properties of 2,2,2-trifluoro-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine?
2,2,2-trifluoro-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine has a molecular weight of 347.26 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine is sourced from PubChem (CID 53483171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).